3-pyridinium-1-ylpropane-1-sulfonate
Everything that changed this flow. Back to the flow
def6bf94-2873-48d6-9170-0227e49297dc
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NDSB 201' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=3-pyridinium-1-ylpropane-1-sulfonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'15471-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ad773d9c6472838: {'15471-17-7': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['15471-17-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[84929, 84930]; selected_pubchem_cids=[84929]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,613 | bootstrap_labels | prefLabel | — | [{"@value":"3-pyridinium-1-ylpropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 18,614 | bootstrap_labels | name | 3-pyridinium-1-ylpropane-1-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 18,615 | bootstrap_labels | synonyms | ["organic","1-(3-sulphonatopropyl)pyridinium"] | [] | Removed legacy synonyms field in favor of structured labels |
| 182,600 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 182,601 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 219,420 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,556 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,557 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,558 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J236.249J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['15471-17-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[84929, 84930]; selected_pubchem_cids=[84929]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 253,326 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | rdkit_pre_consensus from 'C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 262,205 | consensus_match | altLabel | [] | [{"@value":"1-(3-Sulfopropyl)pyridinium betaine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=3-pyridinium-1-ylpropane-1-sulfonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=15471-17-7; added Common Chemistry CAS names as altLabel: 1-(3-Sulfopropyl)pyridinium betaine, 1-(3-Sulfopropyl)pyridinium hydroxide, inner salt, 1-Pyridiniumpropane-3-sulfonate, 3-(1-Pyridinio)-1-propanesulfonate, 3-(1-Pyridino)-1-propane sulfonate, 3-Pyridin-1-ium-1-ylpropane-1-sulfonate, <em>N</em>-Propylpyridinesulfonic acid betaine, NDSB 201, PPS, Pyridinium propylsulfobetaine, Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt, Pyridinium, 1-(3-sulfopropyl)-, inner salt; object_uuid=fo-6ad773d9c6472838 |
| 262,206 | consensus_match | cas_match_labels | — | {"15471-17-7":"exactMatch"} | group_key=3-pyridinium-1-ylpropane-1-sulfonate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'15471-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ad773d9c6472838: {'15471-17-7': 'exactMatch'} |
| 278,539 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-pyridinium-1-ylpropane-1-sulfonate' |
| 285,307 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | rdkit_post_consensus from 'O=S(=O)([O-])CCC[n+]1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,002 | strip_catalogue_altlabels | altLabel | [{"@value":"1-(3-Sulfopropyl)pyridinium betaine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"1-(3-Sulfopropyl)pyridinium betaine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 1 catalogue altLabel value(s): 'NDSB 201' (grade code) |
| 372,326 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/def6bf94-2873-… | associations resolved on the elementary layer |
| 392,905 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3S"… | typed the way the ontology types it |
| 401,594 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/Zwitterion"] | the substance's answer, copied onto its flow |
PROV-O trail
18 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1302361922970000/18613 | prefLabel | ef:agent/bootstrap_labels | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v0 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v1 |
| ef:activity/change/20260821T1302361922970000/18614 | name | ef:agent/bootstrap_labels | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v1 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v2 |
| ef:activity/change/20260821T1302361922970000/18615 | synonyms | ef:agent/bootstrap_labels | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v2 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v3 |
| ef:activity/change/20260821T1302361922970000/182600 | context | ef:agent/default_context_mapping | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v3 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v4 |
| ef:activity/change/20260821T1302361922970000/182601 | context_iri | ef:agent/default_context_mapping | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v4 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v5 |
| ef:activity/change/20260821T1302361922970000/219420 | unit_iri | ef:agent/unit_normalization | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v5 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v6 |
| ef:activity/change/20260821T1302361922970000/244556 | properties | ef:agent/enrich_references | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v6 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v7 |
| ef:activity/change/20260821T1302361922970000/244557 | skos_definition | ef:agent/enrich_references | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v7 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v8 |
| ef:activity/change/20260821T1302361922970000/244558 | references | ef:agent/enrich_references | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v8 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v9 |
| ef:activity/change/20260821T1302361922970000/253326 | properties | ef:agent/rdkit_pre_consensus | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v9 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v10 |
| ef:activity/change/20260821T1302361922970000/262205 | altLabel | ef:agent/consensus_match | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v10 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v11 |
| ef:activity/change/20260821T1302361922970000/262206 | cas_match_labels | ef:agent/consensus_match | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v11 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v12 |
| ef:activity/change/20260821T1302361922970000/278539 | properties | ef:agent/opsin_iupac | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v12 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v13 |
| ef:activity/change/20260821T1302361922970000/285307 | properties | ef:agent/rdkit_post_consensus | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v13 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v14 |
| ef:activity/change/20260821T1302361922970000/291002 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v14 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v15 |
| ef:activity/change/20260821T1302361922970000/372326 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v15 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v16 |
| ef:activity/change/20260821T1302361922970000/392905 | properties | ef:agent/normalise_property_values | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v16 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v17 |
| ef:activity/change/20260821T1302361922970000/401594 | types | ef:agent/link_flows_to_their_substance | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v17 | ef:flow/def6bf94-2873-48d6-9170-0227e49297dc/v18 |